Geometry & MOs

Info

ID:	36490
PubChem CID:	8007515
Reduced:	S2N4O4C16H21 (1)
Stoich.:	A2B4C4D16E21 (1)
Weight, g/mol:	358.151513
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	15.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.863425
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C[NH+]3CCCC3

DOS

IR

Vibrations